4-deoxy-β-D-gluc-4-enuronosyl-2-sulfate-(1,3)-N-acetyl-β-D-galactosamine

4-deoxy-β-D-gluc-4-enuronosyl-2-sulfate-(1,3)-<i>N</i>-acetyl-β-D-galactosamine




Chemical Formula:
C14H19NO14S
Molecular Weight:
457.362 Daltons
Monoisotopic Mass:
459.0682750787 Daltons
SMILES:
CC(=O)NC2(C(OC1(OC(C(=O)[O-])=CC(O)C(OS([O-])(=O)=O)1))C(O)C(CO)OC(O)2)
InChI:
1S/C14H21NO14S/c1-4(17)15-8-11(9(19)7(3-16)26-13(8)22)28-14-10(29-30(23,24)25)5(18)2-6(27-14)12(20)21/h2,5,7-11,13-14,16,18-19,22H,3H2,1H3,(H,15,17)(H,20,21)(H,23,24,25)/p-2/t5-,7+,8+,9-,10+,11+,13+,14-/m0/s1
InChIKey:
ZEUCJYOQJTZLFJ-RBCDGZSOSA-L

Synonyms
  • 3-(4-deoxy-β-D-gluc-4-enuronosyl)-2-O-sulfate-N-acetyl-D-galactosamine
  • 4-deoxy-β-D-gluc-4-enuronosyl-2-O-sulfate-(1,3)-N-acetyl-D-galactosamine
  • 4-deoxy-Δ4-β-D-GlcAp2S-(1→3)-β-D-GalNAc
  • chondroitin disaccharide (2'S-monosulfated)

Databases
MetaCyc:  CPD-15035
PubChem (CID):  54758557
ChEBI:  63274
MetaNetX:  MNXM6876